4-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

Systemtic Name: 4-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-thiazole CAS Name: 4-[[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-2-phenylthiazole IUPAC Name: 4-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]thio]methyl]-2-phenyl-thiazole Formula: C26H30N4S2 MolecularWeight: 462.6732

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC=CC=C3)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC=CC=C3)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H30N4S2/c1-2-8-30-23(15-26-12-18-9-19(13-26)11-20(10-18)14-26)28-29-25(30)32-17-22-16-31-24(27-22)21-6-4-3-5-7-21/h2-7,16,18-20H,1,8-15,17H2